SCHEMBL10344871

SCHEMBL10344871

CC(C)(C)C(=O)Nc1cc[c]c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
MAPT P10636 3/20 0.49
LCK P06239 1/20 0.45
CTSL P07711 1/20 0.45
PTPRC P08575 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
CTSS P25774 1/20 0.45
PTPN13 Q12923 1/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2459851 0.82 ALDH1A1 (0.47) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL6501890 0.79 CA12 (0.45) ALDH1A1MEN1KMT2AGAACA12
SCHEMBL6494806 0.79 HPGD (0.55) L3MBTL1NPSR1MAPTMEN1KMT2A
SCHEMBL10344592 0.78 APEX1 (0.58)
SCHEMBL10344761 0.78 CYP3A4 (0.58) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL8043766 0.77 L3MBTL1 (0.52) L3MBTL1NPSR1MAPTLCKCTSL
SCHEMBL6713744 0.76 ALDH1A1 (0.56) MAPTPTPRCALDH1A1MEN1KMT2A
SCHEMBL334142 0.75 L3MBTL1 (0.64) L3MBTL1NPSR1MAPTMEN1KMT2A
SCHEMBL6299024 0.75 MEN1 (0.60) NPSR1MAPTALDH1A1MEN1KMT2A
SCHEMBL6502508 0.74 KDM4E (0.51) L3MBTL1MAPTALDH1A1KDM4ELMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0192111-B1 ISO-UREAS, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1990-05-16 EP disclosed
US-4692187-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1987-09-08 US disclosed
EP-0192111-A1 Iso-ureas, processes for their production and their use as herbicides BASF Aktiengesellschaft (DE) 1986-08-27 EP disclosed